(4-Butyl-1-ethyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane)iridium(I) tetra­fluorido­borate

Lerch, T.G.; Gau, M.; Albert, D.R.; Rajaseelan, E.

doi:10.1107/S2414314624005017

(4-Butyl-1-ethyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane)iridium(I) tetrafluoridoborate

T. G. Lerch, M. Gau, D. R. Albert and E. Rajaseelan

The title compound, [Ir(C₈H₁₂)(C₈H₁₅N₃)(C₁₈H₁₅P)]BF₄, a new triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetrafluoridoborate counter-anion, crystallizes with two cations and two anions in the asymmetric unit of space group Pc. The Ir centers of the cations have distorted square-planar conformations, formed by a bidentate (η² + η²) cycloocta-1,5-diene (COD) ligand, an N-heterocyclic carbene and a triphenylphosphane ligand with the NHC carbon atom and P atom being cis. In the extended structure, non-classical C–H

F hydrogen bonds, one of which is notably short (H

F = 2.21 Å), link the cations and anions. The carbon atoms of one of the COD ligands are disordered over adjacent sites in a 0.62:0.38 ratio.

Keywords: crystal structure; iridium; N-heterocyclic carbenes; cationic complexes.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S2414314624005017/hb4475sup1.cif Contains datablock I
	Structure factor file (CIF format) https://doi.org/10.1107/S2414314624005017/hb4475Isup2.hkl Contains datablock I

CCDC reference: 2358743

checkCIF report

Key indicators

Structure: I

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.008 Å
Disorder in main residue
R factor = 0.027
wR factor = 0.066
Data-to-parameter ratio = 18.2

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT342_ALERT_3_C Low Bond Precision on  C-C Bonds ...............    0.00835 Ang.
PLAT767_ALERT_4_C INS Embedded LIST 6 Instruction Should be LIST 4     Please Check

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite         10 Note
PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ...         16 Report
PLAT112_ALERT_2_G ADDSYM Detects New (Pseudo) Symm. Elem         C         82 %Fit
PLAT153_ALERT_1_G The s.u.'s on the Cell Axes   are Equal ..(Note)     0.0003 Ang.
PLAT172_ALERT_4_G The CIF-Embedded .res File Contains DFIX Records          2 Report
PLAT178_ALERT_4_G The CIF-Embedded .res File Contains SIMU Records          1 Report
PLAT188_ALERT_3_G A Non-default SIMU Restraint Value has been used     0.0040 Report
PLAT244_ALERT_4_G Low    'Solvent' Ueq as Compared to Neighbors of         B1 Check
PLAT244_ALERT_4_G Low    'Solvent' Ueq as Compared to Neighbors of        B1' Check
PLAT300_ALERT_4_G Atom Site Occupancy of C27'       Constrained at       0.62 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C28'       Constrained at       0.62 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C29'       Constrained at       0.62 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C30'       Constrained at       0.62 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C31'       Constrained at       0.62 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C32'       Constrained at       0.62 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C33'       Constrained at       0.62 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C34'       Constrained at       0.62 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C27"       Constrained at       0.38 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C28"       Constrained at       0.38 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C29"       Constrained at       0.38 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C30"       Constrained at       0.38 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C31"       Constrained at       0.38 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C32"       Constrained at       0.38 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C33"       Constrained at       0.38 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C34"       Constrained at       0.38 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H27'       Constrained at       0.62 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H28'       Constrained at       0.62 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H29C       Constrained at       0.62 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H29D       Constrained at       0.62 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H30C       Constrained at       0.62 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H30D       Constrained at       0.62 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H31'       Constrained at       0.62 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H32'       Constrained at       0.62 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H33C       Constrained at       0.62 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H33D       Constrained at       0.62 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H34C       Constrained at       0.62 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H34D       Constrained at       0.62 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H27"       Constrained at       0.38 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H28"       Constrained at       0.38 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H29A       Constrained at       0.38 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H29B       Constrained at       0.38 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H30A       Constrained at       0.38 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H30B       Constrained at       0.38 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H31"       Constrained at       0.38 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H32"       Constrained at       0.38 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H33A       Constrained at       0.38 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H33B       Constrained at       0.38 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H34A       Constrained at       0.38 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H34B       Constrained at       0.38 Check
PLAT301_ALERT_3_G Main Residue  Disorder ..............(Resd    1)        21% Note
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........         14 Note
              H3'A    H3'B    H4'A    H4'B    H4'C    H5'A    H5'B    H6'A
              H6'B    H7'A    H7'B    H8'A    H8'B    H8'C
PLAT722_ALERT_1_G Angle   Calc      113.00, Rep      114.20 Dev...       1.20 Degree
              C33"    -C32"    -H32"       1_555  1_555  1_555     #  376 Check
PLAT860_ALERT_3_G Number of Least-Squares Restraints .............        251 Note
PLAT883_ALERT_1_G No Info/Value for _atom_sites_solution_primary .     Please Do !
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min).          3 Note
                0  1  0,   1  0  0,   0  1  1,
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         30 Note
PLAT969_ALERT_5_G The 'Henn et al.' R-Factor-gap value ...........       1.67 Note
              Predicted wR2: Based on SigI   2  3.97 or SHELX Weight  6.28       
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density.          0 Info

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   2 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  58 ALERT level G = General information/check it is not something unexpected

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 ALERT type 3 Indicator that the structure quality may be low
  47 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

Computing details top

(4-Butyl-1-ethyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane)iridium(I) tetrafluoridoborate top

Crystal data top

[Ir(C₈H₁₂)(C₈H₁₅N₃)(C₁₈H₁₅P)]BF₄	F(000) = 1600
M_r = 802.68	D_x = 1.641 Mg m⁻³
Monoclinic, Pc	Mo Kα radiation, λ = 0.71073 Å
a = 14.1426 (3) Å	Cell parameters from 31113 reflections
b = 12.3103 (3) Å	θ = 2.4–28.3°
c = 18.8707 (3) Å	µ = 4.21 mm⁻¹
β = 98.492 (2)°	T = 100 K
V = 3249.36 (12) Å³	Block, red
Z = 4	0.38 × 0.21 × 0.14 × 1.90 (radius) mm

Data collection top

Rigaku XtaLAB Synergy-S diffractometer	14407 reflections with I > 2σ(I)
Detector resolution: 10.0 pixels mm^-1	R_int = 0.043
ω scans	θ_max = 28.3°, θ_min = 2.2°
Absorption correction: multi-scan (CrysAlisPr; Rigaku OD, 2024)	h = −18→18
T_min = 0.072, T_max = 0.097	k = −16→16
65731 measured reflections	l = −25→25
15859 independent reflections

Refinement top

Refinement on F²	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F² > 2σ(F²)] = 0.027	w = 1/[σ²(F_o²) + (0.0345P)²] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.066	(Δ/σ)_max = 0.001
S = 1.08	Δρ_max = 0.99 e Å⁻³
15859 reflections	Δρ_min = −0.79 e Å⁻³
869 parameters	Absolute structure: Flack x determined using 6483 quotients [(I⁺)-(I^-)]/[(I⁺)+(I^-)] (Parsons et al., 2013)
251 restraints	Absolute structure parameter: −0.013 (4)

Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Ir1	0.56035 (2)	0.04309 (2)	0.74486 (2)	0.01394 (13)
P1	0.68145 (9)	0.16063 (10)	0.72500 (7)	0.0144 (3)
N1	0.4235 (3)	0.2315 (3)	0.7352 (2)	0.0178 (9)
N2	0.3501 (3)	0.2883 (4)	0.6949 (2)	0.0237 (10)
N3	0.3982 (3)	0.1484 (4)	0.6357 (2)	0.0195 (9)
C1	0.4559 (3)	0.1465 (4)	0.7003 (3)	0.0181 (10)
C2	0.3374 (4)	0.2347 (5)	0.6347 (3)	0.0251 (13)
H2	0.291160	0.253412	0.594775	0.030*
C3	0.4567 (4)	0.2662 (5)	0.8086 (3)	0.0226 (12)
H3A	0.474896	0.343852	0.808720	0.027*
H3B	0.514274	0.223878	0.828104	0.027*
C4	0.3799 (4)	0.2502 (5)	0.8565 (3)	0.0309 (13)
H4A	0.324126	0.295047	0.838751	0.046*
H4B	0.405146	0.271674	0.905621	0.046*
H4C	0.360948	0.173570	0.855754	0.046*
C5	0.4008 (4)	0.0747 (5)	0.5747 (3)	0.0217 (11)
H5A	0.454825	0.023354	0.586043	0.026*
H5B	0.411380	0.117309	0.532096	0.026*
C6	0.3068 (4)	0.0105 (5)	0.5578 (3)	0.0237 (11)
H6A	0.302609	−0.042934	0.596377	0.028*
H6B	0.252050	0.061010	0.556084	0.028*
C7	0.3009 (6)	−0.0488 (5)	0.4862 (5)	0.0285 (18)
H7A	0.308538	0.004236	0.448006	0.034*
H7B	0.353908	−0.101911	0.488745	0.034*
C8	0.2059 (4)	−0.1080 (5)	0.4671 (3)	0.0327 (14)
H8A	0.205018	−0.146144	0.421448	0.049*
H8B	0.153473	−0.055290	0.462854	0.049*
H8C	0.198233	−0.160614	0.504826	0.049*
C9	0.6539 (4)	0.3060 (4)	0.7094 (3)	0.0185 (11)
C10	0.6971 (4)	0.3901 (4)	0.7508 (3)	0.0260 (12)
H10	0.743137	0.374756	0.791564	0.031*
C11	0.6731 (5)	0.4968 (5)	0.7327 (4)	0.0336 (14)
H11	0.702224	0.554064	0.761837	0.040*
C12	0.6080 (5)	0.5212 (5)	0.6736 (4)	0.0314 (14)
H12	0.593095	0.594810	0.661705	0.038*
C13	0.5640 (4)	0.4383 (5)	0.6311 (3)	0.0273 (13)
H13	0.518476	0.454682	0.590241	0.033*
C14	0.5872 (4)	0.3307 (4)	0.6489 (3)	0.0228 (11)
H14	0.557505	0.273641	0.619841	0.027*
C15	0.7333 (3)	0.1272 (4)	0.6451 (3)	0.0166 (10)
C16	0.7041 (4)	0.0378 (4)	0.6029 (3)	0.0221 (12)
H16	0.654527	−0.007690	0.614797	0.027*
C17	0.7474 (4)	0.0143 (5)	0.5428 (3)	0.0243 (11)
H17	0.727030	−0.047014	0.514052	0.029*
C18	0.8203 (4)	0.0802 (6)	0.5248 (3)	0.0280 (13)
H18	0.850013	0.063240	0.484222	0.034*
C19	0.8495 (4)	0.1709 (5)	0.5664 (3)	0.0270 (12)
H19	0.899201	0.215909	0.554115	0.032*
C20	0.8063 (4)	0.1958 (4)	0.6256 (3)	0.0227 (11)
H20	0.825371	0.258708	0.653219	0.027*
C21	0.7818 (3)	0.1570 (4)	0.7983 (3)	0.0171 (10)
C22	0.8659 (4)	0.0997 (4)	0.7922 (3)	0.0219 (11)
H22	0.875969	0.070656	0.747248	0.026*
C23	0.9346 (4)	0.0857 (5)	0.8525 (3)	0.0306 (13)
H23	0.991603	0.046988	0.848208	0.037*
C24	0.9212 (4)	0.1270 (5)	0.9183 (3)	0.0331 (14)
H24	0.968844	0.117353	0.958920	0.040*
C25	0.8375 (4)	0.1830 (5)	0.9248 (3)	0.0312 (14)
H25	0.828036	0.211766	0.969933	0.037*
C26	0.7677 (4)	0.1969 (5)	0.8656 (3)	0.0226 (11)
H26	0.709971	0.233601	0.870706	0.027*
C27	0.4678 (5)	−0.1004 (5)	0.7291 (4)	0.0213 (14)
H27	0.415887	−0.093570	0.687203	0.026*
C28	0.4476 (5)	−0.0460 (4)	0.7894 (4)	0.0249 (13)
H28	0.384238	−0.008361	0.782477	0.030*
C29	0.4832 (4)	−0.0762 (5)	0.8664 (3)	0.0286 (13)
H29E	0.442895	−0.135357	0.881104	0.034*
H29F	0.476632	−0.012652	0.897421	0.034*
C30	0.5881 (4)	−0.1133 (5)	0.8775 (3)	0.0248 (12)
H30E	0.615473	−0.103752	0.928491	0.030*
H30F	0.590902	−0.191575	0.865930	0.030*
C31	0.6483 (4)	−0.0496 (4)	0.8308 (3)	0.0216 (12)
H31	0.700609	−0.005889	0.858790	0.026*
C32	0.6697 (4)	−0.0858 (5)	0.7652 (4)	0.0178 (13)
H32	0.734469	−0.064091	0.754908	0.021*
C33	0.6311 (4)	−0.1877 (4)	0.7278 (3)	0.0220 (11)
H33E	0.666546	−0.250783	0.750978	0.026*
H33F	0.642737	−0.185116	0.677416	0.026*
C34	0.5240 (4)	−0.2050 (4)	0.7289 (3)	0.0196 (11)
H34E	0.497327	−0.248288	0.686405	0.024*
H34F	0.515634	−0.247666	0.772053	0.024*
Ir1'	0.06571 (2)	0.45638 (2)	0.25589 (2)	0.01456 (14)
P1'	0.19170 (9)	0.34777 (10)	0.23359 (7)	0.0147 (3)
N1'	−0.0612 (3)	0.2590 (4)	0.2479 (2)	0.0202 (9)
N2'	−0.1265 (3)	0.1937 (4)	0.2068 (3)	0.0275 (11)
N3'	−0.0829 (3)	0.3325 (4)	0.1449 (2)	0.0235 (10)
C1'	−0.0316 (4)	0.3448 (4)	0.2119 (3)	0.0191 (11)
C2'	−0.1377 (4)	0.2405 (5)	0.1444 (3)	0.0267 (13)
H2'	−0.178674	0.214263	0.103547	0.032*
C3'	−0.0364 (4)	0.2351 (5)	0.3238 (3)	0.0229 (11)
H3'A	0.015316	0.284542	0.345173	0.027*
H3'B	−0.012376	0.159638	0.329881	0.027*
C4'	−0.1231 (4)	0.2488 (5)	0.3627 (3)	0.0274 (12)
H4'A	−0.148981	0.322296	0.354497	0.041*
H4'B	−0.103700	0.237281	0.414186	0.041*
H4'C	−0.172161	0.195523	0.344362	0.041*
C5'	−0.0823 (4)	0.4058 (5)	0.0832 (3)	0.0253 (12)
H5'A	−0.066755	0.363875	0.041670	0.030*
H5'B	−0.032243	0.461869	0.095192	0.030*
C6'	−0.1796 (4)	0.4609 (5)	0.0633 (3)	0.0296 (14)
H6'A	−0.191721	0.508856	0.103164	0.036*
H6'B	−0.230223	0.404738	0.056874	0.036*
C7'	−0.1851 (5)	0.5282 (6)	−0.0054 (4)	0.0348 (16)
H7'A	−0.135748	0.585818	0.001292	0.042*
H7'B	−0.171774	0.480858	−0.045187	0.042*
C8'	−0.2834 (5)	0.5799 (6)	−0.0249 (4)	0.0426 (17)
H8'A	−0.331822	0.522864	−0.034686	0.064*
H8'B	−0.283923	0.625312	−0.067658	0.064*
H8'C	−0.297515	0.624956	0.015042	0.064*
C9'	0.2347 (3)	0.3836 (4)	0.1503 (3)	0.0166 (10)
C10'	0.3040 (4)	0.3168 (4)	0.1259 (3)	0.0210 (11)
H10'	0.325563	0.253092	0.151765	0.025*
C11'	0.3407 (4)	0.3439 (5)	0.0641 (3)	0.0235 (11)
H11'	0.388281	0.299432	0.048161	0.028*
C12'	0.3078 (5)	0.4364 (6)	0.0250 (4)	0.0254 (15)
H12'	0.332872	0.454839	−0.017480	0.030*
C13'	0.2384 (4)	0.5013 (4)	0.0486 (3)	0.0229 (11)
H13'	0.215555	0.563705	0.021754	0.028*
C14'	0.2018 (4)	0.4757 (5)	0.1112 (3)	0.0221 (11)
H14'	0.154755	0.520842	0.127183	0.026*
C15'	0.1671 (4)	0.2016 (4)	0.2207 (3)	0.0175 (11)
C16'	0.1112 (4)	0.1715 (4)	0.1558 (3)	0.0232 (11)
H16'	0.091620	0.225043	0.120395	0.028*
C17'	0.0846 (5)	0.0642 (5)	0.1430 (4)	0.0301 (14)
H17'	0.047137	0.044280	0.098959	0.036*
C18'	0.1126 (5)	−0.0143 (5)	0.1948 (4)	0.0308 (14)
H18'	0.093809	−0.087787	0.186235	0.037*
C19'	0.1675 (5)	0.0144 (5)	0.2583 (4)	0.0357 (15)
H19'	0.186661	−0.039504	0.293520	0.043*
C20'	0.1952 (4)	0.1220 (5)	0.2715 (3)	0.0277 (12)
H20'	0.233472	0.140985	0.315452	0.033*
C21'	0.2975 (3)	0.3578 (4)	0.3019 (3)	0.0173 (10)
C22'	0.2909 (4)	0.3235 (4)	0.3713 (3)	0.0200 (11)
H22'	0.233396	0.291154	0.381357	0.024*
C23'	0.3676 (4)	0.3361 (5)	0.4263 (3)	0.0252 (12)
H23'	0.362911	0.310130	0.473050	0.030*
C24'	0.4511 (4)	0.3868 (5)	0.4126 (3)	0.0253 (12)
H24'	0.503594	0.395295	0.449838	0.030*
C25'	0.4570 (4)	0.4248 (5)	0.3442 (3)	0.0241 (12)
H25'	0.513378	0.460594	0.334876	0.029*
C26'	0.3808 (4)	0.4109 (4)	0.2891 (3)	0.0196 (10)
H26'	0.385426	0.437649	0.242504	0.023*
C27"	−0.054 (2)	0.5546 (19)	0.2923 (15)	0.0225 (17)	0.38
H27"	−0.116351	0.514980	0.290877	0.027*	0.38
C27'	−0.0481 (13)	0.5362 (10)	0.3006 (8)	0.0217 (16)	0.62
H27'	−0.109433	0.494533	0.294132	0.026*	0.62
C28"	−0.034 (3)	0.588 (3)	0.2269 (16)	0.0219 (18)	0.38
H28"	−0.084793	0.569968	0.186116	0.026*	0.38
C28'	−0.0329 (16)	0.5953 (14)	0.2398 (9)	0.0216 (17)	0.62
H28'	−0.085030	0.586381	0.198175	0.026*	0.62
C29"	0.0205 (13)	0.6881 (15)	0.2153 (9)	0.0220 (18)	0.38
H29A	0.004551	0.708284	0.164119	0.026*	0.38
H29B	−0.003498	0.747049	0.243535	0.026*	0.38
C29'	0.0196 (8)	0.7046 (8)	0.2404 (6)	0.0212 (15)	0.62
H29C	−0.002983	0.742430	0.194761	0.025*	0.62
H29D	0.000696	0.749514	0.279532	0.025*	0.62
C30"	0.1251 (17)	0.686 (2)	0.2331 (11)	0.0230 (18)	0.38
H30A	0.145113	0.750808	0.262343	0.028*	0.38
H30B	0.152284	0.692691	0.187864	0.028*	0.38
C30'	0.1255 (10)	0.6997 (12)	0.2498 (7)	0.0252 (17)	0.62
H30C	0.151652	0.760385	0.281158	0.030*	0.62
H30D	0.146704	0.710325	0.202545	0.030*	0.62
C31"	0.169 (4)	0.589 (3)	0.2720 (18)	0.0231 (18)	0.38
H31"	0.235211	0.570753	0.262864	0.028*	0.38
C31'	0.167 (2)	0.5931 (18)	0.2821 (10)	0.0227 (17)	0.62
H31'	0.232495	0.577334	0.270117	0.027*	0.62
C32"	0.148 (3)	0.560 (2)	0.341 (2)	0.0235 (18)	0.38
H32"	0.200620	0.520543	0.372173	0.028*	0.38
C32'	0.1504 (17)	0.5444 (13)	0.3434 (12)	0.0228 (16)	0.62
H32'	0.206080	0.502396	0.368431	0.027*	0.62
C33"	0.0839 (15)	0.6266 (14)	0.3833 (12)	0.0244 (17)	0.38
H33A	0.100972	0.609298	0.434805	0.029*	0.38
H33B	0.098176	0.704393	0.377044	0.029*	0.38
C33'	0.0888 (8)	0.5962 (9)	0.3936 (7)	0.0285 (16)	0.62
H33C	0.113197	0.573772	0.443275	0.034*	0.62
H33D	0.095183	0.676165	0.390951	0.034*	0.62
C34"	−0.0181 (12)	0.6105 (13)	0.3634 (9)	0.0252 (17)	0.38
H34A	−0.049088	0.682631	0.362734	0.030*	0.38
H34B	−0.040938	0.567779	0.401957	0.030*	0.38
C34'	−0.0131 (7)	0.5677 (9)	0.3776 (6)	0.0246 (15)	0.62
H34C	−0.051177	0.630404	0.390122	0.030*	0.62
H34D	−0.025590	0.506407	0.408899	0.030*	0.62
F1	0.6760 (3)	0.7630 (3)	0.5436 (3)	0.0520 (11)
F2	0.5460 (3)	0.6681 (3)	0.4912 (3)	0.0522 (11)
F3	0.5814 (3)	0.8334 (3)	0.4480 (2)	0.0428 (9)
F4	0.5261 (3)	0.8233 (3)	0.5531 (2)	0.0504 (10)
B1	0.5832 (5)	0.7701 (6)	0.5084 (4)	0.0310 (15)
F1'	0.0448 (3)	0.3162 (3)	0.4888 (3)	0.0691 (16)
F2'	0.0456 (3)	0.1342 (3)	0.4753 (2)	0.0416 (9)
F3'	0.1072 (3)	0.2088 (4)	0.5808 (2)	0.0597 (12)
F4'	0.1850 (3)	0.2295 (3)	0.4875 (2)	0.0460 (10)
B1'	0.0940 (5)	0.2228 (6)	0.5074 (4)	0.0288 (14)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ir1	0.01192 (18)	0.01183 (12)	0.0180 (4)	−0.00071 (9)	0.0020 (2)	0.00016 (10)
P1	0.0139 (6)	0.0127 (6)	0.0169 (7)	−0.0010 (5)	0.0028 (5)	−0.0006 (5)
N1	0.015 (2)	0.016 (2)	0.021 (2)	0.0039 (16)	0.0011 (17)	0.0001 (18)
N2	0.020 (2)	0.026 (2)	0.024 (2)	0.0069 (18)	0.0009 (18)	−0.0012 (19)
N3	0.019 (2)	0.020 (2)	0.020 (2)	0.0008 (17)	0.0025 (17)	−0.0019 (17)
C1	0.014 (2)	0.017 (3)	0.022 (3)	−0.0033 (19)	−0.0005 (19)	0.001 (2)
C2	0.019 (3)	0.032 (3)	0.023 (3)	0.011 (2)	−0.001 (2)	0.005 (3)
C3	0.025 (3)	0.018 (3)	0.024 (3)	0.004 (2)	0.001 (2)	−0.005 (2)
C4	0.028 (3)	0.041 (4)	0.024 (3)	0.013 (3)	0.006 (2)	0.002 (3)
C5	0.019 (3)	0.027 (3)	0.019 (3)	−0.001 (2)	0.002 (2)	−0.005 (2)
C6	0.020 (3)	0.028 (3)	0.023 (3)	0.000 (2)	0.001 (2)	−0.003 (2)
C7	0.025 (4)	0.030 (4)	0.030 (4)	−0.003 (2)	0.003 (3)	−0.002 (3)
C8	0.034 (3)	0.035 (3)	0.028 (3)	−0.006 (3)	0.000 (2)	−0.004 (3)
C9	0.019 (3)	0.014 (3)	0.024 (3)	−0.001 (2)	0.008 (2)	0.001 (2)
C10	0.023 (3)	0.020 (3)	0.033 (3)	0.000 (2)	0.001 (2)	−0.005 (2)
C11	0.038 (3)	0.017 (3)	0.045 (4)	−0.003 (2)	0.003 (3)	−0.007 (3)
C12	0.033 (3)	0.018 (3)	0.044 (4)	0.005 (2)	0.008 (3)	0.000 (3)
C13	0.027 (3)	0.023 (3)	0.031 (3)	0.007 (2)	0.003 (2)	0.005 (2)
C14	0.024 (3)	0.021 (3)	0.024 (3)	−0.003 (2)	0.004 (2)	−0.001 (2)
C15	0.016 (2)	0.016 (2)	0.017 (2)	0.0013 (19)	0.0024 (18)	0.000 (2)
C16	0.023 (3)	0.019 (3)	0.023 (3)	−0.002 (2)	0.001 (2)	−0.001 (2)
C17	0.028 (3)	0.025 (3)	0.021 (3)	0.002 (2)	0.005 (2)	−0.005 (2)
C18	0.031 (3)	0.031 (3)	0.025 (3)	0.000 (3)	0.013 (2)	−0.001 (3)
C19	0.030 (3)	0.024 (3)	0.030 (3)	−0.004 (2)	0.016 (2)	0.000 (2)
C20	0.023 (3)	0.020 (3)	0.026 (3)	−0.002 (2)	0.008 (2)	−0.002 (2)
C21	0.016 (2)	0.014 (2)	0.021 (2)	−0.0045 (18)	0.0010 (19)	0.0007 (19)
C22	0.018 (2)	0.017 (3)	0.030 (3)	−0.005 (2)	0.003 (2)	0.006 (2)
C23	0.022 (3)	0.028 (3)	0.038 (3)	−0.003 (2)	−0.008 (2)	0.011 (3)
C24	0.032 (3)	0.035 (3)	0.028 (3)	−0.013 (3)	−0.007 (2)	0.011 (3)
C25	0.037 (3)	0.035 (3)	0.020 (3)	−0.019 (3)	−0.002 (2)	0.002 (2)
C26	0.023 (3)	0.022 (3)	0.024 (3)	−0.011 (2)	0.005 (2)	−0.001 (2)
C27	0.018 (3)	0.015 (3)	0.031 (4)	−0.009 (2)	0.001 (3)	0.002 (3)
C28	0.020 (3)	0.020 (3)	0.037 (3)	−0.006 (2)	0.012 (2)	0.005 (2)
C29	0.033 (3)	0.025 (3)	0.030 (3)	−0.004 (2)	0.013 (3)	0.006 (2)
C30	0.029 (3)	0.021 (3)	0.024 (3)	−0.001 (2)	0.003 (2)	0.008 (2)
C31	0.022 (3)	0.015 (3)	0.025 (3)	0.0009 (19)	−0.005 (2)	0.005 (2)
C32	0.015 (3)	0.011 (3)	0.026 (4)	0.002 (2)	−0.002 (2)	0.002 (2)
C33	0.021 (3)	0.012 (2)	0.031 (3)	0.0022 (19)	−0.002 (2)	0.000 (2)
C34	0.017 (2)	0.016 (3)	0.026 (3)	−0.0027 (19)	0.002 (2)	−0.001 (2)
Ir1'	0.0130 (2)	0.01289 (12)	0.0178 (4)	0.00096 (9)	0.0025 (2)	0.00014 (10)
P1'	0.0139 (6)	0.0129 (6)	0.0176 (7)	0.0016 (5)	0.0036 (5)	0.0015 (5)
N1'	0.021 (2)	0.019 (2)	0.021 (2)	−0.0064 (17)	0.0040 (18)	−0.0006 (18)
N2'	0.026 (2)	0.031 (3)	0.025 (2)	−0.015 (2)	0.0024 (19)	−0.004 (2)
N3'	0.022 (2)	0.027 (2)	0.020 (2)	−0.0055 (19)	0.0001 (18)	0.0025 (19)
C1'	0.016 (2)	0.022 (3)	0.020 (2)	0.001 (2)	0.004 (2)	−0.001 (2)
C2'	0.021 (3)	0.036 (4)	0.023 (3)	−0.015 (2)	0.002 (2)	−0.004 (3)
C3'	0.021 (3)	0.023 (3)	0.025 (3)	−0.003 (2)	0.002 (2)	0.005 (2)
C4'	0.024 (3)	0.039 (3)	0.019 (3)	−0.005 (2)	0.003 (2)	−0.001 (2)
C5'	0.022 (3)	0.034 (3)	0.020 (3)	−0.005 (2)	0.002 (2)	0.006 (2)
C6'	0.019 (3)	0.046 (4)	0.024 (3)	−0.001 (2)	0.004 (2)	0.003 (3)
C7'	0.025 (3)	0.045 (4)	0.035 (4)	0.008 (3)	0.007 (3)	0.008 (3)
C8'	0.029 (3)	0.060 (5)	0.040 (4)	0.008 (3)	0.006 (3)	0.015 (3)
C9'	0.016 (2)	0.018 (2)	0.016 (2)	0.0016 (19)	0.0038 (18)	0.0006 (19)
C10'	0.020 (3)	0.019 (3)	0.024 (3)	0.001 (2)	0.004 (2)	0.002 (2)
C11'	0.024 (3)	0.024 (3)	0.024 (3)	0.000 (2)	0.008 (2)	−0.003 (2)
C12'	0.029 (4)	0.030 (3)	0.018 (3)	−0.007 (3)	0.008 (3)	0.002 (3)
C13'	0.028 (3)	0.019 (3)	0.021 (3)	−0.002 (2)	0.004 (2)	0.004 (2)
C14'	0.023 (3)	0.021 (3)	0.022 (3)	0.001 (2)	0.000 (2)	0.000 (2)
C15'	0.018 (2)	0.012 (3)	0.024 (3)	0.0008 (19)	0.008 (2)	0.001 (2)
C16'	0.029 (3)	0.017 (2)	0.024 (3)	−0.003 (2)	0.006 (2)	0.001 (2)
C17'	0.036 (3)	0.022 (3)	0.033 (3)	−0.006 (2)	0.007 (3)	−0.007 (2)
C18'	0.035 (3)	0.013 (3)	0.045 (4)	−0.004 (2)	0.007 (3)	−0.004 (3)
C19'	0.042 (4)	0.017 (3)	0.046 (4)	0.001 (3)	0.002 (3)	0.009 (3)
C20'	0.027 (3)	0.023 (3)	0.031 (3)	0.001 (2)	−0.002 (2)	0.001 (2)
C21'	0.016 (2)	0.013 (2)	0.023 (2)	0.0050 (18)	0.0019 (19)	−0.0011 (19)
C22'	0.019 (3)	0.019 (3)	0.022 (3)	0.005 (2)	0.004 (2)	0.002 (2)
C23'	0.029 (3)	0.023 (3)	0.023 (3)	0.012 (2)	0.004 (2)	0.002 (2)
C24'	0.021 (3)	0.027 (3)	0.025 (3)	0.007 (2)	−0.005 (2)	−0.008 (2)
C25'	0.017 (3)	0.024 (3)	0.031 (3)	−0.001 (2)	0.004 (2)	−0.007 (2)
C26'	0.020 (3)	0.018 (2)	0.020 (2)	0.002 (2)	0.002 (2)	−0.004 (2)
C27"	0.021 (3)	0.017 (4)	0.032 (4)	0.007 (3)	0.009 (3)	0.000 (3)
C27'	0.020 (3)	0.016 (3)	0.031 (4)	0.006 (3)	0.009 (3)	0.000 (3)
C28"	0.019 (3)	0.016 (3)	0.031 (4)	0.006 (3)	0.006 (3)	0.000 (3)
C28'	0.018 (3)	0.016 (3)	0.031 (4)	0.008 (2)	0.006 (3)	0.000 (3)
C29"	0.019 (3)	0.015 (3)	0.032 (4)	0.004 (3)	0.003 (3)	0.001 (3)
C29'	0.019 (2)	0.014 (3)	0.030 (4)	0.005 (2)	0.003 (3)	0.000 (3)
C30"	0.023 (3)	0.014 (3)	0.030 (4)	0.000 (3)	−0.003 (3)	−0.002 (3)
C30'	0.026 (3)	0.015 (3)	0.032 (4)	−0.001 (2)	−0.006 (3)	0.001 (3)
C31"	0.023 (3)	0.015 (3)	0.029 (4)	0.002 (3)	−0.006 (3)	−0.002 (3)
C31'	0.022 (3)	0.015 (3)	0.029 (4)	0.001 (2)	−0.005 (3)	−0.002 (3)
C32"	0.024 (3)	0.017 (4)	0.027 (3)	0.007 (3)	−0.004 (3)	−0.003 (3)
C32'	0.024 (3)	0.015 (4)	0.026 (3)	0.007 (3)	−0.005 (2)	−0.005 (3)
C33"	0.029 (3)	0.016 (4)	0.027 (3)	0.010 (3)	0.001 (3)	0.000 (3)
C33'	0.031 (3)	0.024 (4)	0.030 (3)	0.014 (3)	0.000 (3)	−0.004 (3)
C34"	0.027 (3)	0.019 (4)	0.030 (4)	0.009 (3)	0.007 (3)	−0.002 (3)
C34'	0.028 (3)	0.018 (3)	0.029 (3)	0.007 (3)	0.009 (3)	0.001 (3)
F1	0.0285 (19)	0.048 (2)	0.073 (3)	−0.0005 (16)	−0.0142 (19)	0.012 (2)
F2	0.039 (2)	0.036 (2)	0.078 (3)	−0.0018 (18)	−0.003 (2)	−0.002 (2)
F3	0.039 (2)	0.059 (2)	0.0292 (19)	−0.0038 (17)	0.0004 (16)	0.0076 (17)
F4	0.044 (2)	0.067 (3)	0.042 (2)	−0.005 (2)	0.0125 (18)	−0.003 (2)
B1	0.020 (3)	0.040 (4)	0.032 (4)	−0.006 (3)	0.000 (3)	0.002 (3)
F1'	0.047 (2)	0.028 (2)	0.117 (4)	0.0085 (18)	−0.038 (3)	−0.007 (3)
F2'	0.0337 (19)	0.035 (2)	0.053 (2)	−0.0053 (16)	−0.0059 (17)	−0.0016 (18)
F3'	0.055 (2)	0.099 (3)	0.027 (2)	−0.010 (2)	0.0137 (18)	−0.002 (2)
F4'	0.035 (2)	0.064 (3)	0.042 (2)	−0.0096 (18)	0.0121 (17)	0.011 (2)
B1'	0.023 (3)	0.037 (4)	0.025 (3)	−0.003 (3)	−0.001 (3)	0.004 (3)

Geometric parameters (Å, º) top

Ir1—P1	2.3145 (13)	N2'—C2'	1.299 (8)
Ir1—C1	2.035 (5)	N3'—C1'	1.370 (7)
Ir1—C27	2.192 (6)	N3'—C2'	1.372 (7)
Ir1—C28	2.202 (6)	N3'—C5'	1.473 (7)
Ir1—C31	2.210 (5)	C2'—H2'	0.9500
Ir1—C32	2.209 (6)	C3'—H3'A	0.9900
P1—C9	1.846 (5)	C3'—H3'B	0.9900
P1—C15	1.817 (5)	C3'—C4'	1.529 (8)
P1—C21	1.830 (5)	C4'—H4'A	0.9800
N1—N2	1.381 (6)	C4'—H4'B	0.9800
N1—C1	1.352 (7)	C4'—H4'C	0.9800
N1—C3	1.460 (7)	C5'—H5'A	0.9900
N2—C2	1.304 (7)	C5'—H5'B	0.9900
N3—C1	1.364 (6)	C5'—C6'	1.531 (8)
N3—C2	1.365 (7)	C6'—H6'A	0.9900
N3—C5	1.470 (7)	C6'—H6'B	0.9900
C2—H2	0.9500	C6'—C7'	1.532 (9)
C3—H3A	0.9900	C7'—H7'A	0.9900
C3—H3B	0.9900	C7'—H7'B	0.9900
C3—C4	1.525 (8)	C7'—C8'	1.523 (9)
C4—H4A	0.9800	C8'—H8'A	0.9800
C4—H4B	0.9800	C8'—H8'B	0.9800
C4—H4C	0.9800	C8'—H8'C	0.9800
C5—H5A	0.9900	C9'—C10'	1.408 (7)
C5—H5B	0.9900	C9'—C14'	1.395 (7)
C5—C6	1.539 (7)	C10'—H10'	0.9500
C6—H6A	0.9900	C10'—C11'	1.385 (8)
C6—H6B	0.9900	C11'—H11'	0.9500
C6—C7	1.527 (10)	C11'—C12'	1.399 (9)
C7—H7A	0.9900	C12'—H12'	0.9500
C7—H7B	0.9900	C12'—C13'	1.389 (9)
C7—C8	1.524 (9)	C13'—H13'	0.9500
C8—H8A	0.9800	C13'—C14'	1.394 (8)
C8—H8B	0.9800	C14'—H14'	0.9500
C8—H8C	0.9800	C15'—C16'	1.406 (7)
C9—C10	1.384 (8)	C15'—C20'	1.387 (8)
C9—C14	1.403 (7)	C16'—H16'	0.9500
C10—H10	0.9500	C16'—C17'	1.384 (8)
C10—C11	1.387 (8)	C17'—H17'	0.9500
C11—H11	0.9500	C17'—C18'	1.389 (9)
C11—C12	1.370 (9)	C18'—H18'	0.9500
C12—H12	0.9500	C18'—C19'	1.376 (9)
C12—C13	1.388 (9)	C19'—H19'	0.9500
C13—H13	0.9500	C19'—C20'	1.393 (8)
C13—C14	1.393 (8)	C20'—H20'	0.9500
C14—H14	0.9500	C21'—C22'	1.393 (7)
C15—C16	1.386 (7)	C21'—C26'	1.398 (7)
C15—C20	1.424 (7)	C22'—H22'	0.9500
C16—H16	0.9500	C22'—C23'	1.394 (7)
C16—C17	1.395 (8)	C23'—H23'	0.9500
C17—H17	0.9500	C23'—C24'	1.393 (8)
C17—C18	1.392 (8)	C24'—H24'	0.9500
C18—H18	0.9500	C24'—C25'	1.387 (8)
C18—C19	1.392 (9)	C25'—H25'	0.9500
C19—H19	0.9500	C25'—C26'	1.393 (7)
C19—C20	1.385 (8)	C26'—H26'	0.9500
C20—H20	0.9500	C27"—H27"	1.0000
C21—C22	1.402 (7)	C27"—C28"	1.37 (4)
C21—C26	1.404 (8)	C27"—C34"	1.53 (3)
C22—H22	0.9500	C27'—H27'	1.0000
C22—C23	1.393 (8)	C27'—C28'	1.401 (18)
C23—H23	0.9500	C27'—C34'	1.515 (12)
C23—C24	1.382 (9)	C28"—H28"	1.0000
C24—H24	0.9500	C28"—C29"	1.48 (3)
C24—C25	1.390 (9)	C28'—H28'	1.0000
C25—H25	0.9500	C28'—C29'	1.536 (12)
C25—C26	1.388 (8)	C29"—H29A	0.9900
C26—H26	0.9500	C29"—H29B	0.9900
C27—H27	1.0000	C29"—C30"	1.47 (2)
C27—C28	1.386 (10)	C29'—H29C	0.9900
C27—C34	1.514 (8)	C29'—H29D	0.9900
C28—H28	1.0000	C29'—C30'	1.484 (12)
C28—C29	1.511 (9)	C30"—H30A	0.9900
C29—H29E	0.9900	C30"—H30B	0.9900
C29—H29F	0.9900	C30"—C31"	1.49 (3)
C29—C30	1.537 (8)	C30'—H30C	0.9900
C30—H30E	0.9900	C30'—H30D	0.9900
C30—H30F	0.9900	C30'—C31'	1.529 (13)
C30—C31	1.530 (8)	C31"—H31"	1.0000
C31—H31	1.0000	C31"—C32"	1.44 (4)
C31—C32	1.390 (9)	C31'—H31'	1.0000
C32—H32	1.0000	C31'—C32'	1.36 (2)
C32—C33	1.502 (8)	C32"—H32"	1.0000
C33—H33E	0.9900	C32"—C33"	1.53 (3)
C33—H33F	0.9900	C32'—H32'	1.0000
C33—C34	1.533 (8)	C32'—C33'	1.519 (13)
C34—H34E	0.9900	C33"—H33A	0.9900
C34—H34F	0.9900	C33"—H33B	0.9900
Ir1'—P1'	2.3154 (13)	C33"—C34"	1.45 (2)
Ir1'—C1'	2.034 (5)	C33'—H33C	0.9900
Ir1'—C27"	2.27 (3)	C33'—H33D	0.9900
Ir1'—C27'	2.160 (17)	C33'—C34'	1.470 (11)
Ir1'—C28"	2.16 (4)	C34"—H34A	0.9900
Ir1'—C28'	2.20 (2)	C34"—H34B	0.9900
Ir1'—C31"	2.18 (5)	C34'—H34C	0.9900
Ir1'—C31'	2.22 (3)	C34'—H34D	0.9900
Ir1'—C32"	2.24 (4)	F1—B1	1.384 (7)
Ir1'—C32'	2.18 (3)	F2—B1	1.382 (8)
P1'—C9'	1.822 (5)	F3—B1	1.377 (8)
P1'—C15'	1.842 (5)	F4—B1	1.412 (8)
P1'—C21'	1.829 (5)	F1'—B1'	1.362 (8)
N1'—N2'	1.375 (6)	F2'—B1'	1.380 (8)
N1'—C1'	1.354 (7)	F3'—B1'	1.381 (7)
N1'—C3'	1.453 (7)	F4'—B1'	1.394 (7)

C1—Ir1—P1	92.97 (14)	C1'—N1'—C3'	127.2 (4)
C1—Ir1—C27	93.7 (2)	C2'—N2'—N1'	103.5 (4)
C1—Ir1—C28	86.9 (2)	C1'—N3'—C2'	108.5 (5)
C1—Ir1—C31	157.2 (2)	C1'—N3'—C5'	126.7 (5)
C1—Ir1—C32	165.4 (2)	C2'—N3'—C5'	124.7 (5)
C27—Ir1—P1	157.38 (19)	N1'—C1'—Ir1'	124.2 (4)
C27—Ir1—C28	36.8 (2)	N1'—C1'—N3'	102.6 (4)
C27—Ir1—C31	86.8 (2)	N3'—C1'—Ir1'	133.2 (4)
C27—Ir1—C32	80.4 (2)	N2'—C2'—N3'	111.5 (5)
C28—Ir1—P1	165.48 (17)	N2'—C2'—H2'	124.2
C28—Ir1—C31	79.8 (2)	N3'—C2'—H2'	124.2
C28—Ir1—C32	96.0 (2)	N1'—C3'—H3'A	109.5
C31—Ir1—P1	95.25 (15)	N1'—C3'—H3'B	109.5
C32—Ir1—P1	87.78 (16)	N1'—C3'—C4'	110.9 (4)
C32—Ir1—C31	36.7 (2)	H3'A—C3'—H3'B	108.0
C9—P1—Ir1	119.21 (17)	C4'—C3'—H3'A	109.5
C15—P1—Ir1	113.04 (16)	C4'—C3'—H3'B	109.5
C15—P1—C9	100.9 (2)	C3'—C4'—H4'A	109.5
C15—P1—C21	105.0 (2)	C3'—C4'—H4'B	109.5
C21—P1—Ir1	111.86 (17)	C3'—C4'—H4'C	109.5
C21—P1—C9	105.5 (2)	H4'A—C4'—H4'B	109.5
N2—N1—C3	119.0 (4)	H4'A—C4'—H4'C	109.5
C1—N1—N2	113.9 (4)	H4'B—C4'—H4'C	109.5
C1—N1—C3	127.1 (4)	N3'—C5'—H5'A	109.5
C2—N2—N1	102.7 (4)	N3'—C5'—H5'B	109.5
C1—N3—C2	108.5 (4)	N3'—C5'—C6'	110.8 (5)
C1—N3—C5	127.5 (4)	H5'A—C5'—H5'B	108.1
C2—N3—C5	123.9 (5)	C6'—C5'—H5'A	109.5
N1—C1—Ir1	124.1 (4)	C6'—C5'—H5'B	109.5
N1—C1—N3	102.8 (4)	C5'—C6'—H6'A	109.2
N3—C1—Ir1	133.0 (4)	C5'—C6'—H6'B	109.2
N2—C2—N3	112.1 (5)	C5'—C6'—C7'	112.2 (5)
N2—C2—H2	123.9	H6'A—C6'—H6'B	107.9
N3—C2—H2	123.9	C7'—C6'—H6'A	109.2
N1—C3—H3A	109.3	C7'—C6'—H6'B	109.2
N1—C3—H3B	109.3	C6'—C7'—H7'A	109.4
N1—C3—C4	111.5 (5)	C6'—C7'—H7'B	109.4
H3A—C3—H3B	108.0	H7'A—C7'—H7'B	108.0
C4—C3—H3A	109.3	C8'—C7'—C6'	111.2 (6)
C4—C3—H3B	109.3	C8'—C7'—H7'A	109.4
C3—C4—H4A	109.5	C8'—C7'—H7'B	109.4
C3—C4—H4B	109.5	C7'—C8'—H8'A	109.5
C3—C4—H4C	109.5	C7'—C8'—H8'B	109.5
H4A—C4—H4B	109.5	C7'—C8'—H8'C	109.5
H4A—C4—H4C	109.5	H8'A—C8'—H8'B	109.5
H4B—C4—H4C	109.5	H8'A—C8'—H8'C	109.5
N3—C5—H5A	109.4	H8'B—C8'—H8'C	109.5
N3—C5—H5B	109.4	C10'—C9'—P1'	118.6 (4)
N3—C5—C6	111.0 (4)	C14'—C9'—P1'	121.7 (4)
H5A—C5—H5B	108.0	C14'—C9'—C10'	119.7 (5)
C6—C5—H5A	109.4	C9'—C10'—H10'	120.0
C6—C5—H5B	109.4	C11'—C10'—C9'	120.0 (5)
C5—C6—H6A	109.4	C11'—C10'—H10'	120.0
C5—C6—H6B	109.4	C10'—C11'—H11'	119.9
H6A—C6—H6B	108.0	C10'—C11'—C12'	120.2 (6)
C7—C6—C5	111.2 (5)	C12'—C11'—H11'	119.9
C7—C6—H6A	109.4	C11'—C12'—H12'	120.2
C7—C6—H6B	109.4	C13'—C12'—C11'	119.6 (6)
C6—C7—H7A	109.3	C13'—C12'—H12'	120.2
C6—C7—H7B	109.3	C12'—C13'—H13'	119.7
H7A—C7—H7B	108.0	C12'—C13'—C14'	120.7 (6)
C8—C7—C6	111.6 (6)	C14'—C13'—H13'	119.7
C8—C7—H7A	109.3	C9'—C14'—H14'	120.1
C8—C7—H7B	109.3	C13'—C14'—C9'	119.7 (5)
C7—C8—H8A	109.5	C13'—C14'—H14'	120.1
C7—C8—H8B	109.5	C16'—C15'—P1'	116.3 (4)
C7—C8—H8C	109.5	C20'—C15'—P1'	124.7 (4)
H8A—C8—H8B	109.5	C20'—C15'—C16'	118.9 (5)
H8A—C8—H8C	109.5	C15'—C16'—H16'	119.8
H8B—C8—H8C	109.5	C17'—C16'—C15'	120.4 (5)
C10—C9—P1	124.7 (4)	C17'—C16'—H16'	119.8
C10—C9—C14	119.0 (5)	C16'—C17'—H17'	120.0
C14—C9—P1	116.2 (4)	C16'—C17'—C18'	120.0 (6)
C9—C10—H10	120.1	C18'—C17'—H17'	120.0
C9—C10—C11	119.8 (5)	C17'—C18'—H18'	120.0
C11—C10—H10	120.1	C19'—C18'—C17'	120.0 (6)
C10—C11—H11	119.4	C19'—C18'—H18'	120.0
C12—C11—C10	121.3 (6)	C18'—C19'—H19'	119.7
C12—C11—H11	119.4	C18'—C19'—C20'	120.5 (6)
C11—C12—H12	120.0	C20'—C19'—H19'	119.7
C11—C12—C13	120.0 (6)	C15'—C20'—C19'	120.2 (6)
C13—C12—H12	120.0	C15'—C20'—H20'	119.9
C12—C13—H13	120.3	C19'—C20'—H20'	119.9
C12—C13—C14	119.3 (6)	C22'—C21'—P1'	118.7 (4)
C14—C13—H13	120.3	C22'—C21'—C26'	118.6 (5)
C9—C14—H14	119.7	C26'—C21'—P1'	122.2 (4)
C13—C14—C9	120.6 (5)	C21'—C22'—H22'	119.5
C13—C14—H14	119.7	C21'—C22'—C23'	120.9 (5)
C16—C15—P1	122.3 (4)	C23'—C22'—H22'	119.5
C16—C15—C20	119.2 (5)	C22'—C23'—H23'	120.0
C20—C15—P1	118.5 (4)	C24'—C23'—C22'	119.9 (5)
C15—C16—H16	119.9	C24'—C23'—H23'	120.0
C15—C16—C17	120.2 (5)	C23'—C24'—H24'	120.2
C17—C16—H16	119.9	C25'—C24'—C23'	119.5 (5)
C16—C17—H17	119.8	C25'—C24'—H24'	120.2
C18—C17—C16	120.5 (5)	C24'—C25'—H25'	119.8
C18—C17—H17	119.8	C24'—C25'—C26'	120.5 (5)
C17—C18—H18	120.1	C26'—C25'—H25'	119.8
C17—C18—C19	119.9 (5)	C21'—C26'—H26'	119.8
C19—C18—H18	120.1	C25'—C26'—C21'	120.4 (5)
C18—C19—H19	119.9	C25'—C26'—H26'	119.8
C20—C19—C18	120.2 (5)	Ir1'—C27"—H27"	115.1
C20—C19—H19	119.9	C28"—C27"—Ir1'	68 (2)
C15—C20—H20	120.0	C28"—C27"—H27"	115.1
C19—C20—C15	120.1 (5)	C28"—C27"—C34"	125 (2)
C19—C20—H20	120.0	C34"—C27"—Ir1'	109.6 (15)
C22—C21—P1	121.5 (4)	C34"—C27"—H27"	115.1
C22—C21—C26	119.1 (5)	Ir1'—C27'—H27'	113.7
C26—C21—P1	118.5 (4)	C28'—C27'—Ir1'	72.8 (13)
C21—C22—H22	120.2	C28'—C27'—H27'	113.7
C23—C22—C21	119.5 (6)	C28'—C27'—C34'	125.8 (13)
C23—C22—H22	120.2	C34'—C27'—Ir1'	109.5 (9)
C22—C23—H23	119.4	C34'—C27'—H27'	113.7
C24—C23—C22	121.1 (6)	Ir1'—C28"—H28"	113.6
C24—C23—H23	119.4	C27"—C28"—Ir1'	76 (2)
C23—C24—H24	120.2	C27"—C28"—H28"	113.6
C23—C24—C25	119.5 (5)	C27"—C28"—C29"	124 (2)
C25—C24—H24	120.2	C29"—C28"—Ir1'	109 (2)
C24—C25—H25	119.9	C29"—C28"—H28"	113.6
C26—C25—C24	120.3 (6)	Ir1'—C28'—H28'	113.7
C26—C25—H25	119.9	C27'—C28'—Ir1'	69.7 (12)
C21—C26—H26	119.8	C27'—C28'—H28'	113.7
C25—C26—C21	120.4 (5)	C27'—C28'—C29'	125.5 (13)
C25—C26—H26	119.8	C29'—C28'—Ir1'	112.6 (12)
Ir1—C27—H27	113.2	C29'—C28'—H28'	113.7
C28—C27—Ir1	72.0 (3)	C28"—C29"—H29A	107.7
C28—C27—H27	113.2	C28"—C29"—H29B	107.7
C28—C27—C34	125.8 (6)	H29A—C29"—H29B	107.1
C34—C27—Ir1	112.5 (4)	C30"—C29"—C28"	118 (2)
C34—C27—H27	113.2	C30"—C29"—H29A	107.7
Ir1—C28—H28	113.9	C30"—C29"—H29B	107.7
C27—C28—Ir1	71.3 (4)	C28'—C29'—H29C	108.2
C27—C28—H28	113.9	C28'—C29'—H29D	108.2
C27—C28—C29	126.2 (6)	H29C—C29'—H29D	107.3
C29—C28—Ir1	109.4 (4)	C30'—C29'—C28'	116.4 (12)
C29—C28—H28	113.9	C30'—C29'—H29C	108.2
C28—C29—H29E	109.1	C30'—C29'—H29D	108.2
C28—C29—H29F	109.1	C29"—C30"—H30A	107.9
C28—C29—C30	112.5 (5)	C29"—C30"—H30B	107.9
H29E—C29—H29F	107.8	C29"—C30"—C31"	118 (2)
C30—C29—H29E	109.1	H30A—C30"—H30B	107.2
C30—C29—H29F	109.1	C31"—C30"—H30A	107.9
C29—C30—H30E	109.2	C31"—C30"—H30B	107.9
C29—C30—H30F	109.2	C29'—C30'—H30C	108.8
H30E—C30—H30F	107.9	C29'—C30'—H30D	108.8
C31—C30—C29	112.2 (4)	C29'—C30'—C31'	113.9 (14)
C31—C30—H30E	109.2	H30C—C30'—H30D	107.7
C31—C30—H30F	109.2	C31'—C30'—H30C	108.8
Ir1—C31—H31	113.7	C31'—C30'—H30D	108.8
C30—C31—Ir1	112.7 (4)	Ir1'—C31"—H31"	115.5
C30—C31—H31	113.7	C30"—C31"—Ir1'	108 (2)
C32—C31—Ir1	71.6 (3)	C30"—C31"—H31"	115.5
C32—C31—C30	124.2 (5)	C32"—C31"—Ir1'	73 (3)
C32—C31—H31	113.7	C32"—C31"—C30"	122 (3)
Ir1—C32—H32	114.4	C32"—C31"—H31"	115.5
C31—C32—Ir1	71.7 (3)	Ir1'—C31'—H31'	113.0
C31—C32—H32	114.4	C30'—C31'—Ir1'	111.3 (15)
C31—C32—C33	125.0 (6)	C30'—C31'—H31'	113.0
C33—C32—Ir1	108.8 (4)	C32'—C31'—Ir1'	70.5 (17)
C33—C32—H32	114.4	C32'—C31'—C30'	127.8 (18)
C32—C33—H33E	108.8	C32'—C31'—H31'	113.0
C32—C33—H33F	108.8	Ir1'—C32"—H32"	114.2
C32—C33—C34	113.7 (5)	C31"—C32"—Ir1'	69 (3)
H33E—C33—H33F	107.7	C31"—C32"—H32"	114.2
C34—C33—H33E	108.8	C31"—C32"—C33"	124 (3)
C34—C33—H33F	108.8	C33"—C32"—Ir1'	113 (2)
C27—C34—C33	113.7 (5)	C33"—C32"—H32"	114.2
C27—C34—H34E	108.8	Ir1'—C32'—H32'	114.0
C27—C34—H34F	108.8	C31'—C32'—Ir1'	73.7 (17)
C33—C34—H34E	108.8	C31'—C32'—H32'	114.0
C33—C34—H34F	108.8	C31'—C32'—C33'	122.4 (15)
H34E—C34—H34F	107.7	C33'—C32'—Ir1'	112.3 (13)
C1'—Ir1'—P1'	91.62 (15)	C33'—C32'—H32'	114.0
C1'—Ir1'—C27"	89.5 (8)	C32"—C33"—H33A	108.3
C1'—Ir1'—C27'	88.2 (5)	C32"—C33"—H33B	108.3
C1'—Ir1'—C28"	91.6 (8)	H33A—C33"—H33B	107.4
C1'—Ir1'—C28'	95.3 (5)	C34"—C33"—C32"	116 (2)
C1'—Ir1'—C31"	164.0 (9)	C34"—C33"—H33A	108.3
C1'—Ir1'—C31'	168.4 (5)	C34"—C33"—H33B	108.3
C1'—Ir1'—C32"	157.7 (9)	C32'—C33'—H33C	108.7
C1'—Ir1'—C32'	155.3 (5)	C32'—C33'—H33D	108.7
C27"—Ir1'—P1'	172.7 (6)	H33C—C33'—H33D	107.6
C27'—Ir1'—P1'	166.2 (3)	C34'—C33'—C32'	114.0 (12)
C27'—Ir1'—C28'	37.5 (5)	C34'—C33'—H33C	108.7
C27'—Ir1'—C31'	93.6 (7)	C34'—C33'—H33D	108.7
C27'—Ir1'—C32'	80.6 (6)	C27"—C34"—H34A	107.6
C28"—Ir1'—P1'	151.1 (8)	C27"—C34"—H34B	107.6
C28"—Ir1'—C27"	36.0 (9)	C33"—C34"—C27"	118.8 (17)
C28"—Ir1'—C31"	82.6 (13)	C33"—C34"—H34A	107.6
C28"—Ir1'—C32"	90.3 (11)	C33"—C34"—H34B	107.6
C28'—Ir1'—P1'	156.0 (4)	H34A—C34"—H34B	107.0
C28'—Ir1'—C31'	79.5 (7)	C27'—C34'—H34C	108.4
C31"—Ir1'—P1'	86.5 (11)	C27'—C34'—H34D	108.4
C31"—Ir1'—C27"	94.3 (12)	C33'—C34'—C27'	115.4 (10)
C31"—Ir1'—C32"	37.8 (11)	C33'—C34'—H34C	108.4
C31'—Ir1'—P1'	89.3 (6)	C33'—C34'—H34D	108.4
C32"—Ir1'—P1'	97.4 (8)	H34C—C34'—H34D	107.5
C32"—Ir1'—C27"	79.1 (11)	F1—B1—F4	109.2 (6)
C32'—Ir1'—P1'	94.2 (5)	F2—B1—F1	110.9 (6)
C32'—Ir1'—C28'	89.1 (6)	F2—B1—F4	109.2 (5)
C32'—Ir1'—C31'	35.9 (5)	F3—B1—F1	109.5 (5)
C9'—P1'—Ir1'	112.40 (16)	F3—B1—F2	111.1 (6)
C9'—P1'—C15'	101.7 (2)	F3—B1—F4	106.9 (6)
C9'—P1'—C21'	104.4 (2)	F1'—B1'—F2'	110.6 (5)
C15'—P1'—Ir1'	116.94 (17)	F1'—B1'—F3'	110.6 (6)
C21'—P1'—Ir1'	113.86 (17)	F1'—B1'—F4'	109.7 (6)
C21'—P1'—C15'	106.1 (2)	F2'—B1'—F3'	109.1 (5)
N2'—N1'—C3'	118.8 (4)	F2'—B1'—F4'	110.3 (6)
C1'—N1'—N2'	113.8 (4)	F3'—B1'—F4'	106.5 (5)

Ir1—P1—C9—C10	121.4 (5)	Ir1'—C27'—C28'—C29'	−103.8 (19)
Ir1—P1—C9—C14	−61.6 (5)	Ir1'—C27'—C34'—C33'	32.5 (12)
Ir1—P1—C15—C16	−2.1 (5)	Ir1'—C28"—C29"—C30"	−7 (2)
Ir1—P1—C15—C20	177.8 (4)	Ir1'—C28'—C29'—C30'	1.4 (15)
Ir1—P1—C21—C22	101.8 (4)	Ir1'—C31"—C32"—C33"	−105 (4)
Ir1—P1—C21—C26	−67.4 (4)	Ir1'—C31'—C32'—C33'	−106 (2)
Ir1—C27—C28—C29	−100.8 (6)	Ir1'—C32"—C33"—C34"	2 (2)
Ir1—C27—C34—C33	−9.0 (7)	Ir1'—C32'—C33'—C34'	5.9 (13)
Ir1—C28—C29—C30	−40.2 (6)	P1'—C9'—C10'—C11'	−177.7 (4)
Ir1—C31—C32—C33	−100.5 (6)	P1'—C9'—C14'—C13'	178.5 (4)
Ir1—C32—C33—C34	−36.7 (6)	P1'—C15'—C16'—C17'	−176.3 (5)
P1—C9—C10—C11	177.9 (5)	P1'—C15'—C20'—C19'	175.6 (5)
P1—C9—C14—C13	−177.8 (5)	P1'—C21'—C22'—C23'	−175.7 (4)
P1—C15—C16—C17	−178.7 (4)	P1'—C21'—C26'—C25'	174.6 (4)
P1—C15—C20—C19	177.9 (4)	N1'—N2'—C2'—N3'	−0.5 (7)
P1—C21—C22—C23	−170.6 (4)	N2'—N1'—C1'—Ir1'	−179.2 (4)
P1—C21—C26—C25	171.6 (4)	N2'—N1'—C1'—N3'	0.9 (6)
N1—N2—C2—N3	0.2 (6)	N2'—N1'—C3'—C4'	−64.2 (7)
N2—N1—C1—Ir1	−178.0 (3)	N3'—C5'—C6'—C7'	−173.8 (5)
N2—N1—C1—N3	−1.6 (6)	C1'—N1'—N2'—C2'	−0.3 (6)
N2—N1—C3—C4	66.1 (6)	C1'—N1'—C3'—C4'	111.1 (6)
N3—C5—C6—C7	168.7 (5)	C1'—N3'—C2'—N2'	1.1 (7)
C1—N1—N2—C2	0.9 (6)	C1'—N3'—C5'—C6'	−113.5 (6)
C1—N1—C3—C4	−113.0 (6)	C2'—N3'—C1'—Ir1'	179.0 (4)
C1—N3—C2—N2	−1.2 (7)	C2'—N3'—C1'—N1'	−1.2 (6)
C1—N3—C5—C6	117.5 (6)	C2'—N3'—C5'—C6'	65.0 (7)
C2—N3—C1—Ir1	177.6 (4)	C3'—N1'—N2'—C2'	175.6 (5)
C2—N3—C1—N1	1.6 (6)	C3'—N1'—C1'—Ir1'	5.3 (7)
C2—N3—C5—C6	−65.0 (7)	C3'—N1'—C1'—N3'	−174.6 (5)
C3—N1—N2—C2	−178.3 (5)	C5'—N3'—C1'—Ir1'	−2.3 (8)
C3—N1—C1—Ir1	1.1 (7)	C5'—N3'—C1'—N1'	177.5 (5)
C3—N1—C1—N3	177.5 (5)	C5'—N3'—C2'—N2'	−177.6 (5)
C5—N3—C1—Ir1	−4.7 (8)	C5'—C6'—C7'—C8'	178.7 (6)
C5—N3—C1—N1	179.4 (5)	C9'—P1'—C15'—C16'	−50.2 (5)
C5—N3—C2—N2	−179.0 (5)	C9'—P1'—C15'—C20'	133.5 (5)
C5—C6—C7—C8	−177.1 (5)	C9'—P1'—C21'—C22'	−173.0 (4)
C9—P1—C15—C16	−130.6 (5)	C9'—P1'—C21'—C26'	15.2 (5)
C9—P1—C15—C20	49.4 (5)	C9'—C10'—C11'—C12'	−1.2 (9)
C9—P1—C21—C22	−127.2 (4)	C10'—C9'—C14'—C13'	−0.5 (8)
C9—P1—C21—C26	63.6 (5)	C10'—C11'—C12'—C13'	0.2 (10)
C9—C10—C11—C12	−1.0 (9)	C11'—C12'—C13'—C14'	0.7 (10)
C10—C9—C14—C13	−0.6 (8)	C12'—C13'—C14'—C9'	−0.5 (9)
C10—C11—C12—C13	0.8 (10)	C14'—C9'—C10'—C11'	1.3 (8)
C11—C12—C13—C14	−0.5 (10)	C15'—P1'—C9'—C10'	−47.2 (5)
C12—C13—C14—C9	0.4 (9)	C15'—P1'—C9'—C14'	133.8 (5)
C14—C9—C10—C11	0.9 (8)	C15'—P1'—C21'—C22'	−66.0 (5)
C15—P1—C9—C10	−114.3 (5)	C15'—P1'—C21'—C26'	122.2 (4)
C15—P1—C9—C14	62.8 (4)	C15'—C16'—C17'—C18'	0.4 (9)
C15—P1—C21—C22	−21.2 (5)	C16'—C15'—C20'—C19'	−0.6 (9)
C15—P1—C21—C26	169.6 (4)	C16'—C17'—C18'—C19'	−0.6 (10)
C15—C16—C17—C18	0.1 (9)	C17'—C18'—C19'—C20'	0.2 (10)
C16—C15—C20—C19	−2.1 (8)	C18'—C19'—C20'—C15'	0.4 (10)
C16—C17—C18—C19	−0.8 (9)	C20'—C15'—C16'—C17'	0.2 (8)
C17—C18—C19—C20	0.0 (9)	C21'—P1'—C9'—C10'	63.0 (5)
C18—C19—C20—C15	1.4 (9)	C21'—P1'—C9'—C14'	−116.0 (5)
C20—C15—C16—C17	1.3 (8)	C21'—P1'—C15'—C16'	−159.1 (4)
C21—P1—C9—C10	−5.3 (6)	C21'—P1'—C15'—C20'	24.6 (6)
C21—P1—C9—C14	171.8 (4)	C21'—C22'—C23'—C24'	2.2 (8)
C21—P1—C15—C16	120.0 (4)	C22'—C21'—C26'—C25'	2.7 (8)
C21—P1—C15—C20	−60.0 (4)	C22'—C23'—C24'—C25'	0.3 (8)
C21—C22—C23—C24	0.2 (8)	C23'—C24'—C25'—C26'	−1.1 (8)
C22—C21—C26—C25	2.2 (8)	C24'—C25'—C26'—C21'	−0.4 (8)
C22—C23—C24—C25	0.5 (9)	C26'—C21'—C22'—C23'	−3.6 (8)
C23—C24—C25—C26	0.2 (9)	C27"—C28"—C29"—C30"	79 (4)
C24—C25—C26—C21	−1.6 (8)	C27'—C28'—C29'—C30'	82 (2)
C26—C21—C22—C23	−1.5 (7)	C28"—C27"—C34"—C33"	−55 (3)
C27—C28—C29—C30	40.3 (8)	C28"—C29"—C30"—C31"	−9 (3)
C28—C27—C34—C33	−92.5 (7)	C28'—C27'—C34'—C33'	−50 (2)
C28—C29—C30—C31	36.3 (7)	C28'—C29'—C30'—C31'	−19.6 (16)
C29—C30—C31—Ir1	−14.4 (6)	C29"—C30"—C31"—Ir1'	20 (2)
C29—C30—C31—C32	−97.0 (7)	C29"—C30"—C31"—C32"	−60 (5)
C30—C31—C32—Ir1	105.5 (5)	C29'—C30'—C31'—Ir1'	28.0 (15)
C30—C31—C32—C33	5.0 (9)	C29'—C30'—C31'—C32'	−53 (3)
C31—C32—C33—C34	43.7 (8)	C30"—C31"—C32"—Ir1'	101 (4)
C32—C33—C34—C27	31.0 (7)	C30"—C31"—C32"—C33"	−4 (6)
C34—C27—C28—Ir1	105.1 (6)	C30'—C31'—C32'—Ir1'	102 (3)
C34—C27—C28—C29	4.4 (10)	C30'—C31'—C32'—C33'	−4 (4)
Ir1'—P1'—C9'—C10'	−173.1 (4)	C31"—C32"—C33"—C34"	82 (4)
Ir1'—P1'—C9'—C14'	7.9 (5)	C31'—C32'—C33'—C34'	90 (3)
Ir1'—P1'—C15'—C16'	72.6 (4)	C32"—C33"—C34"—C27"	−16 (2)
Ir1'—P1'—C15'—C20'	−103.7 (5)	C32'—C33'—C34'—C27'	−25.7 (14)
Ir1'—P1'—C21'—C22'	64.1 (4)	C34"—C27"—C28"—Ir1'	99 (2)
Ir1'—P1'—C21'—C26'	−107.8 (4)	C34"—C27"—C28"—C29"	−5 (5)
Ir1'—C27"—C28"—C29"	−104 (3)	C34'—C27'—C28'—Ir1'	102.0 (15)
Ir1'—C27"—C34"—C33"	21 (2)	C34'—C27'—C28'—C29'	−2 (3)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
C2—H2···F4′	0.95	2.35	3.255 (7)	158
C4—H4B···F2ⁱ	0.98	2.49	3.352 (8)	147
C2′—H2′···F1ⁱⁱ	0.95	2.21	3.014 (6)	141
C11′—H11′···F4ⁱⁱⁱ	0.95	2.46	3.363 (7)	160
C30′—H30D···F3′ⁱⁱⁱ	0.99	2.49	3.355 (15)	146

Symmetry codes: (i) x, −y+1, z+1/2; (ii) x−1, −y+1, z−1/2; (iii) x, −y+1, z−1/2.

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(4-Butyl-1-ethyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane)iridium(I) tetra­fluorido­borate

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(4-Butyl-1-ethyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane)iridium(I) tetrafluoridoborate